CID 455200

Cis-9(3ch2-2ch2oh-cbu)a

Structural Information

Molecular Formula
C11H13N5O
SMILES
C=C1C[C@H]([C@@H]1CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H13N5O/c1-6-2-8(7(6)3-17)16-5-15-9-10(12)13-4-14-11(9)16/h4-5,7-8,17H,1-3H2,(H2,12,13,14)/t7-,8-/m1/s1
InChIKey
YBRJPXRKGQUYHW-HTQZYQBOSA-N
Compound name
[(1R,2R)-2-(6-aminopurin-9-yl)-4-methylidenecyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.11201 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.119286 153.9
[M+Na]+ 254.101228 163.4
[M-H]- 230.104734 155.3
[M+NH4]+ 249.145833 162.2
[M+K]+ 270.075168 161.3
[M+H-H2O]+ 214.109270 139.8
[M+HCOO]- 276.110211 171.8
[M+CH3COO]- 290.125861 164.7
[M+Na-2H]- 252.086676 157.4
[M]+ 231.11146142 161.9
[M]- 231.11255858 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.